(E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine

C20H31N — CID 102298348

IUPAC(E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine
SMILESC=C/C(=C\CCCCC)C(NCc1ccccc1)C(C)C
InChIInChI=1S/C20H31N/c1-5-7-8-12-15-19(6-2)20(17(3)4)21-16-18-13-10-9-11-14-18/h6,9-11,13-15,17,20-21H,2,5,7-8,12,16H2,1,3-4H3/b19-15+
InChIKeyIFQAOUSWEZEQKZ-XDJHFCHBSA-N
MW285.47 g/mol
LogP5.49
Rot. Bonds10

About (E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine

(E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine (PubChem CID 102298348) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is (E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine.

Molecular Properties

Compound Name(E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine
PubChem CID102298348
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name(E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine
SMILESC=C/C(=C\CCCCC)C(NCc1ccccc1)C(C)C
InChIInChI=1S/C20H31N/c1-5-7-8-12-15-19(6-2)20(17(3)4)21-16-18-13-10-9-11-14-18/h6,9-11,13-15,17,20-21H,2,5,7-8,12,16H2,1,3-4H3/b19-15+
InChIKeyIFQAOUSWEZEQKZ-XDJHFCHBSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(2R)-N-benzylheptan-2-amine
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(2R,3R)-2-(benzylamino)-3-methylpent-4-enoic acid
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methyl (2S)-2-(benzylamino)-3-methylbutanoate;hydrochloride
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(2R,3E,5Z)-N-benzyl-3-ethenylhepta-3,5-dien-2-amine
CID 170263201
(E,1S,2S)-N-benzyl-2-methyl-1-phenylundec-3-en-1-amine
CID 101491741
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
(2E)-N-benzyl-1-phenyl-2-(trimethylsilylmethylidene)but-3-en-1-amine
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CID 166644944
(E)-2-benzyloct-2-enal
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CID 97107585

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine?
The IUPAC name of (E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine (CID 102298348) is (E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine.
What is the SMILES notation for (E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine?
The canonical SMILES for (E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine is C=C/C(=C\CCCCC)C(NCc1ccccc1)C(C)C.
What is the InChIKey of (E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine?
The InChIKey is IFQAOUSWEZEQKZ-XDJHFCHBSA-N. The full InChI is InChI=1S/C20H31N/c1-5-7-8-12-15-19(6-2)20(17(3)4)21-16-18-13-10-9-11-14-18/h6,9-11,13-15,17,20-21H,2,5,7-8,12,16H2,1,3-4H3/b19-15+.
What are the key properties of (E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine?
(E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine has a molecular weight of 285.47 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-4-ethenyl-2-methyldec-4-en-3-amine is sourced from PubChem (CID 102298348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).